% ************
% * Journals *
% ************
%
@STRING{aciee = "Angew.~Chem.~Int.~Ed.~Engl."}
@STRING{acp = "Adv.~Chem.~Phys."}
@STRING{acr = "Acc.~Chem.~Res."}
@STRING{acs = "Acta~Chem.~Scand."}
@STRING{acsa = "Acta~Chem.~Scand.~{\bf A}"}
@STRING{aiqc = "Advances in Quantum Chemistry"}
@STRING{ajp = "Am.~J.~Phys."}
@STRING{amr = "Adv.~Magn.~Reson."}
@STRING{appa = "Acta~Phys.~Pol.~{\bf A}"}
@STRING{aqc = "Adv.~Quantum Chem."}
@STRING{arcp = "Ann.~Rev.~Chem.~Phys."}
@STRING{arnmrs = "Ann.~Rep.~{NMR} Spectrosc."}
@STRING{as = "Appl.~Spectrosc."}
@STRING{asjc = "Aust.~J.~Chem."}
@STRING{aujc = "Austr.~J.~Chem."}
@STRING{bbpc = "Ber.~Bunsenges.~Phys.~Chem."}
@STRING{bcsj = "Bull.~Chem.~Soc.~Jpn."}
@STRING{bsp = "Biomolecular Spectroscopy, Part {\bf B}"}
@STRING{ca = "Carbon"}
@STRING{cb = "Chem.~Ber."}
@STRING{cbr = "Chem.~in Britain"}
@STRING{cc = "Chem.~Comm."}
@STRING{cccc = "Coll.~Czech.~Chem.~Commun."}
@STRING{cdan = "Chem.~Design Automat.~News"}
@STRING{cej = "Chem.~Eur.~J."}
@STRING{chi = "Chimia"}
@STRING{chrom = "Chromatographia"}
@STRING{cjc = "Can.~J.~Chem."}
@STRING{cmr = "Conc.~Magn.~Reson."}
@STRING{cp = "Chem.~Phys."}
@STRING{cpc = "Comp.~Phys.~Commun."}
@STRING{cpl = "Chem.~Phys.~Lett."}
@STRING{cr = "Chem.~Rev."}
@STRING{cras = "C.~R.~Acad.~Sci."}
@STRING{csj = "Chem.~Soc.~Jpn."}
@STRING{csr = "Chem.~Soc.~Rev"}
@STRING{eic = "Education in Chemistry"}
@STRING{epjd = "Eur.~Phys.~J.~{\bf D}"}
@STRING{fd = "Faraday Discuss."}
@STRING{gci = "Gazzetta~Chim.~Ital."}
@STRING{hca = "Helv.~Chim.~Acta"}
@STRING{ic = "Inorg.~Chem."}
@STRING{ica = "Inorg.~Chim.~Acta"}
@STRING{ihf = "Ind.~Hyg.~Forum"}
@STRING{ijc = "Isr.~J.~Chem."}
@STRING{ijmpb = "Int.~J.~Modern Phys.~{\bf B}"}
@STRING{ijqc = "Int.~J.~Quantum Chem."}
@STRING{ijqcqcs = "Int.~J.~Quantum Chem.:Quantum Chem.~Symp."}
@STRING{ijtp = "Int.~J.~Theor.~Phys."}
@STRING{incb = "Il Nuove Cimento~{\bf B}"}
@STRING{incd = "Il Nuove Cimento~{\bf D}"}
@STRING{ipbs = "Isotopes in Physical and Biomedical Science"}
@STRING{jacs = "J.~Am.~Chem.~Soc."}
@STRING{jcc = "J.~Comput.~Chem."}
@STRING{jccs = "J.~Chinese Chem.~Soc."}
@STRING{jce = "J.~Chem.~Educ."}
@STRING{jcics = "J.~Chem.~Inf.~Comput.~Sci."}
@STRING{jcp = "J.~Chem.~Phys."}
@STRING{jcscc = "J.~Chem.~Soc., Chem.~Commun."}
@STRING{jcsdt = "J.~Chem.~Soc., Dalton Trans."}
@STRING{jcsft = "J.~Chem.~Soc.\ Faraday Trans."}
@STRING{jcspt2 = "J.~Chem.~Soc., Perkin Trans.\ 2"}
@STRING{jctc = "J.~Chem.~Theory~Comput."}
@STRING{jdcp = "Journal de chimie physique"}
@STRING{jes = "J.~Electron Spectrosc."}
@STRING{jmc = "J.~Math.~Chem."}
@STRING{jml = "J.~Mol.~Liq."}
@STRING{jmo = "J.~Modern Opt."}
@STRING{jmp = "J.~Math.~Phys."}
@STRING{jmr = "J.~Magn.~Reson."}
@STRING{jmra = "J.~Magn.~Reson.~{\bf A}"}
@STRING{jms = "J.~Mol.~Struct."}
@STRING{jmsp = "J.~Mol.~Spectrosc."}
@STRING{jmstheo = "J.~Mol.~Struct.~(THEOCHEM)"}
@STRING{joc = "J.~Organomet.~Chem."}
@STRING{josab = "J.~Opt.~Soc.~Am.~{\bf B}"}
@STRING{jpamg = "J.~Phys.\ A: Math.~Gen."}
@STRING{jpbamp = "J.~Phys.\ B: At.~Mol.~Phys."}
@STRING{jpbamop = "J.~Phys.\ B: At.~Mol.~Opt.~Phys."}
@STRING{jpc = "J.~Phys.~Chem."}
@STRING{jpca = "J.~Phys.~Chem.~{\bf A}"}
@STRING{jpcb = "J.~Phys.~Chem.~{\bf B}"}
@STRING{jpcl = "J.~Phys.~Chem.~Lett."}
@STRING{jpcrd = "J.~Phys.~Chem.~Ref.~Data"}
@STRING{jpdap = "J.~Phys.~{\bf D}:Appl.~Phys."}
@STRING{jpoc = "J.~Phys.~Org.~Chem."}
@STRING{jpsj = "J.~Phys.~Soc.~Japan"}
@STRING{jrs = "J.~Raman Spectrosc."}
@STRING{mclc = "Mol.~Cryst.~Liq.~Cryst."}
@STRING{mp = "Mol.~Phys."}
@STRING{mpla = "Mod.~Phys.~Lett.\ {\bf A}"}
@STRING{mric = "Magn.~Reson.~Chem."}
@STRING{ms = "Molecular Simulations"}
@STRING{na = "Nature"}
@STRING{nl = "Neurosci.~Lett."}
@STRING{np = "Nucl.~Phys."}
@STRING{oc = "Opt.~Commun."}
@STRING{ol = "Opt.~Lett."}
@STRING{omr = "Org.~Magn.~Reson."}
@STRING{oms = "Org.~Mass Spectrom."}
@STRING{os = "Opt.~Spectrosc."}
@STRING{pac = "Pure and Appl.~Chem."}
@STRING{pccp = "Phys.~Chem.~Chem.~Phys."}
@STRING{phy = "Physica"}
@STRING{pm = "Phil.~Mag."}
@STRING{pnas = "Proc.~Natl.~Acad.~Sci"}
@STRING{pnmrs = "Prog.~{NMR} Spectrosc."}
@STRING{po = "Polyhedron"}
@STRING{ppsb = "Proc.~Phys.~Soc.~{\bf B}"}
@STRING{pr = "Phys.~Rev."}
@STRING{pra = "Phys.~Rev. {\bf A}"}
@STRING{prb = "Phys.~Rev. {\bf B}"}
@STRING{pre = "Phys.~Rev. {\bf E}"}
@STRING{prl = "Phys.~Rev.~Lett."}
@STRING{prsa = "Proc.~Roy.~Soc.~{\bf A}"}
@STRING{rmp = "Rev.~Mod.~Phys."}
@STRING{rtcpb = "Recl.~Trav.~Chim.~Pays-Bas"}
@STRING{sa = "Spectrochim.\ Acta"}
@STRING{sc = "Science"}
@STRING{sm = "Synth.Met."}
@STRING{spec = "Spectroscopy"}
@STRING{sprnmr = "Spec.~Per.~Reps.~Nuc.~Magn.~Resonan."}
@STRING{ssnmr = "Solid State Nuc.~Magn.~Reson."}
@STRING{saa = "Spectrochim.~Acta~{\bf A}"}
@STRING{tca = "Theor.~Chim.~Acta"}
@STRING{tcan = "Theor.~Chem.~Acc."}
@STRING{tetl = "Tetrahedron Lett."}
@STRING{tfs = "Trans.~Faraday Soc."}
@STRING{tis = "Topics in Stereochem."}
@STRING{tsf = "Thin Solid Films"}
@STRING{wa = "Wied.~Ann."}
@STRING{zna = "Z.~Naturforsch.\ {\bf A}"}
@STRING{znb = "Z.~Naturforsch.\ {\bf B}"}
@STRING{zpc = "Z.~Phys.~Chem."}


@article{pesoppa,
   author = {J.~J.~Eriksen and S.~P.~A.~Sauer and K.~V.~Mikkelsen and H.~J.~Aa.~Jensen and J.~Kongsted},
   title = {On the importance of excited state dynamic response electron correlation in polarizable embedding methods},
   journal = jcc,
   volume = {33},
   pages = {2012},
   year = {2012}}

@article{pemcscf,
  author = {E.~D.~Hedeg\aa{}rd and N.~H.~List and H.~J.~Aa.~Jensen and J.~Kongsted},
  title = {The multi-configuration self-consistent field method within a polarizable embedded framework},
  journal = jcp,
  volume = {139},
  year = {2013},
  pages = {044101}}

@article{pescf,
  author = {J.~M.~Olsen and K.~Aidas and J.~Kongsted},
  title = {{Excited States in Solution through Polarizable Embedding}},
  journal = jctc,
  volume = {6},
  year = {2010},
  pages = {3721}}

@article{pemodel1,
  title = {{Molecular Properties through Polarizable Embedding}},
  author = {J.~M.~H.~Olsen and J.~Kongsted},
  journal = aqc,
  volume = {61},
  pages = {107},
  year = {2011}}

@phdthesis{pemodel2,
  author = {J.~M.~H.~Olsen},
  title = {{Development of Quantum Chemical Methods towards Rationalization and Optimal Design of Photoactive Proteins}},
  note = {DOI: 10.6084/m9.figshare.156852},
  month = {November},
  year= {2012},
  school =  {{University of Southern Denmark}},
  address = {Odense, Denmark}}

@article{petutorial,
	author = {Steinmann, C. and Reinholdt, P. and N\o{}rby, M. S. and Kongsted, J. and Olsen, J. M. H.},
	title = {Response properties of embedded molecules through the polarizable embedding model},
	journal = ijqc,
	volume = {119},
    year = {2019},
	pages = {e25717}
}

@misc{pelib,
	author = {Olsen, J. M. H. and List, N. H. and Steinmann, C. and Steindal, A. H. and N\o{}rby, M. S. and Reinholdt, P.},
	title = {{PElib: The Polarizable Embedding library (version 1.4.3)}},
	year = 2020,
	note = {DOI: 10.5281/zenodo.3967017}
}

@article{pe_pp,
  title = {{Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials}},
  author = {Marefat Khah, A. and Reinholdt, P. and Olsen, J. M. H. and Kongsted, J. and Hattig, C.},
  journal = jctc,
  volume = {16},
  number = {3},
  pages = {1373--1381},
  year = {2020},
  publisher = {ACS Publications}
}

@article{pecc,
   author = {K.~Sneskov and T.~Schwabe and J.~Kongsted and O.~Christiansen},
   title = {The polarizable embedding coupled cluster method},
   journal = jcp,
   volume = {134},
   pages = {104108},
   year = {2011}}

@article{peeef,
  author = {N.~H.~List and H.~J.~Aa.~Jensen and J.~Kongsted},
  title = {{Local Electric Fields and Molecular Properties in Heterogeneous Environments through Polarizable Embedding}},
  journal = pccp,
  volume = {18},
  year = {2016},
  pages = {10070}}

@phdthesis{peeef2,
  author = {N.~H.~List},
  title = {{Theoretical Description of Electronic Transitions in Large Molecular Systems in the Optical and X-ray Regions}},
  year= {2015},
  school =  {{University of Southern Denmark}},
  address = {Odense, Denmark}}

@article{pelao,
  author = {C.~Steinmann and J.~M.~H.~Olsen and J.~Kongsted},
  title = {{Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential}},
  journal = jctc,
  volume = {10},
  year = {2014},
  pages = {981}}

@article{pecpp,
  author = {M.~N.~Pedersen and E.~D.~Hedeg\aa{}rd and J.~M.~H.~Olsen and J.~Kauczor and P.~Norman and J.~Kongsted},
  title = {{Damped Response Theory in Combination with Polarizable Environments: The Polarizable Embedding Complex Polarization Propagator Method}},
  journal = jctc,
  volume = {10},
  year = {2014},
  pages = {1164}}

@article{pesrdft,
    doi = {10.1063/1.4914922},
    url = {https://doi.org/10.1063/1.4914922},
    year = {2015},
    month = mar,
    publisher = {{AIP} Publishing},
    volume = {142},
    number = {11},
    pages = {114113},
    author = {E. D. Hedeg{\aa}rd and J. M. H. Olsen and S. Knecht and J. Kongsted and H. J. Aa. Jensen},
    title = {Polarizable embedding with a multiconfiguration short-range density functional theory linear response method},
    journal = jcp
}

@article{pde1,
    doi = {10.1021/jp510138k},
    url = {https://doi.org/10.1021/jp510138k},
    year = {2015},
    month = feb,
    publisher = {American Chemical Society ({ACS})},
    volume = {119},
    number = {21},
    pages = {5344--5355},
    author = {J. M. H.  Olsen and C. Steinmann and K. Ruud and J. Kongsted},
    title = {Polarizable Density Embedding: A New {QM}/{QM}/{MM}-Based Computational Strategy},
    journal = jpca
}

@article{pde2,
    doi = {10.1021/acs.jpclett.7b02788},
    url = {https://doi.org/10.1021/acs.jpclett.7b02788},
    year = {2017},
    month = nov,
    publisher = {American Chemical Society ({ACS})},
    volume = {8},
    number = {23},
    pages = {5949--5958},
    author = {P. Reinholdt and J. Kongsted and J. M. H. Olsen},
    title = {Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling},
    journal = jpcl
}

@article{pde3,
    doi = {10.1021/acs.jctc.0c00763},
    url = {https://doi.org/10.1021/acs.jctc.0c00763},
    year = {2020},
    month = sep,
    publisher = {American Chemical Society ({ACS})},
    volume = {16},
    number = {10},
    pages = {5999--6006},
    author = {P. Reinholdt and F. K. J{\o}rgensen and J. Kongsted and J. M. H. Olsen},
    title = {Polarizable Density Embedding for Large Biomolecular Systems},
    journal = jctc
}

@article{pdecc,
    author = {D.~Hr\v{s}ak and J.~M.~H.~Olsen and J.~Kongsted},
    title = {Polarizable Density Embedding Coupled Cluster Method},
    journal = jctc,
    volume = {14},
    pages = {1351},
    year = {2018}}

@misc{pyframe,
    author = {Olsen, J\'{o}gvan Magnus Haugaard},
    note = {{PyFraME: Python framework for Fragment-based Multiscale Embedding (version 0.3.0), \textbf{2018}, DOI: 10.5281/zenodo.3820471. Available at \url{https://gitlab.com/FraME-projects/PyFraME}}}
}

@article{thole_damp_1,
  title={Molecular polarizabilities calculated with a modified dipole interaction},
  author={Thole, B. T.},
  journal=cp,
  volume={59},
  number={3},
  pages={341},
  year={1981}}

@article{thole_damp_2,
  title={Molecular and atomic polarizabilities: Thole's model revisited},
  author={Van Duijnen, P. T. and Swart, M.},
  journal=jpca,
  volume={102},
  number={14},
  pages={2399},
  year={1998}}

@article{scheurer2021efficient,
 author = {Scheurer, Maximilian and Reinholdt, Peter and Olsen, Jógvan Magnus Haugaard and Dreuw, Andreas and Kongsted, Jacob},
 title = {Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: {Use} Octrees to Save the Trees},
 journal = {J. Chem. Theory Comput.},
 volume = {17},
 number = {6},
 pages = {3445-3454},
 year = {2021},
 publisher = {American Chemical Society (ACS)},
 doi = {10.1021/acs.jctc.1c00225},
 source = {Crossref},
 url = {https://doi.org/10.1021/acs.jctc.1c00225},
 issn = {1549-9618, 1549-9626},
 month = may,
}

@article{reinholdt2021fast,
 author = {Reinholdt, Peter and Kongsted, Jacob and Lipparini, Filippo},
 title = {Fast Approximate but Accurate {QM/MM} Interactions for Polarizable Embedding},
 journal = {J. Chem. Theory Comput.},
 year = {2021},
 publisher = {American Chemical Society (ACS)},
 doi = {10.1021/acs.jctc.1c01037},
 number = {1},
 pages = {344-356},
 source = {Crossref},
 url = {https://doi.org/10.1021/acs.jctc.1c01037},
 volume = {18},
 issn = {1549-9618, 1549-9626},
 month = dec,
}
